D643-0112 Screening compound: [9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl phenyl ether

D643-0112 Screening compound: [9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl phenyl ether
D643-0112 Screening compound: [9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl phenyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D643-0112
[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl phenyl ether

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D643-0112

Molecular Formula

C19H13F2N5OS (C19 H13 F2 N5 OS)

Compound Name

[9-(difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl phenyl ether

IUPAC name

13-(difluoromethyl)-11-methyl-4-(phenoxymethyl)-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)247101214-heptaene

SMILES

Cc1c(c(ncn2nc(COc3ccccc3)nc22)c2s2)c2nc(C(F)F)c1

InChI

InChI=1S/C19H13F2N5OS/c1-10-7-12(17(20)21)23-19-14(10)15-16(28-19)18-24-13(25-26(18)9-22-15)8-27-11-5-3-2-4-6-11/h2-7,9,17H,8H2,1H3

InChI Key

ADQAHXMLYZYAFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

4.058

Water Solubility, LogSw

-4.35

Polar Surface Area

48.710

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D643-0112 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D643-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D643-0112?
Check Price and Availability of D643-0112, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D643-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D643-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D643-0112
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D643-0112 available by request